2-hydroxyethyl octadecanoate

C20H40O3 — CID 24762

IUPAC2-hydroxyethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCO
InChIInChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3
InChIKeyRFVNOJDQRGSOEL-UHFFFAOYSA-N
MW328.54 g/mol
LogP5.78
Rot. Bonds18

About 2-hydroxyethyl octadecanoate

2-hydroxyethyl octadecanoate (PubChem CID 24762) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is 2-hydroxyethyl octadecanoate.

Molecular Properties

Compound Name2-hydroxyethyl octadecanoate
PubChem CID24762
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name2-hydroxyethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCO
InChIInChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3
InChIKeyRFVNOJDQRGSOEL-UHFFFAOYSA-N
XLogP5.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl octadecanoate?
The IUPAC name of 2-hydroxyethyl octadecanoate (CID 24762) is 2-hydroxyethyl octadecanoate.
What is the SMILES notation for 2-hydroxyethyl octadecanoate?
The canonical SMILES for 2-hydroxyethyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl octadecanoate?
The InChIKey is RFVNOJDQRGSOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3.
What are the key properties of 2-hydroxyethyl octadecanoate?
2-hydroxyethyl octadecanoate has a molecular weight of 328.54 g/mol, XLogP of 5.78, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl octadecanoate is sourced from PubChem (CID 24762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).